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        <a href="p4vasp-module.html">Package&nbsp;p4vasp</a> ::
        Module&nbsp;sellang
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<h1 class="epydoc">Source Code for <a href="p4vasp.sellang-module.html">Module p4vasp.sellang</a></h1>
<pre class="py-src">
<a name="L1"></a><tt class="py-lineno">  1</tt>  <tt class="py-line"><tt class="py-comment">#!/usr/bin/python</tt> </tt>
<a name="L2"></a><tt class="py-lineno">  2</tt>  <tt class="py-line"> </tt>
<a name="L3"></a><tt class="py-lineno">  3</tt>  <tt class="py-line"><tt class="py-comment">#  p4vasp is a GUI-program and a library for processing outputs of the</tt> </tt>
<a name="L4"></a><tt class="py-lineno">  4</tt>  <tt class="py-line"><tt class="py-comment">#  Vienna Ab-inition Simulation Package (VASP)</tt> </tt>
<a name="L5"></a><tt class="py-lineno">  5</tt>  <tt class="py-line"><tt class="py-comment">#  (see http://cms.mpi.univie.ac.at/vasp/Welcome.html)</tt> </tt>
<a name="L6"></a><tt class="py-lineno">  6</tt>  <tt class="py-line"><tt class="py-comment">#</tt> </tt>
<a name="L7"></a><tt class="py-lineno">  7</tt>  <tt class="py-line"><tt class="py-comment">#  Copyright (C) 2003  Orest Dubay &lt;odubay@users.sourceforge.net&gt;</tt> </tt>
<a name="L8"></a><tt class="py-lineno">  8</tt>  <tt class="py-line"><tt class="py-comment">#</tt> </tt>
<a name="L9"></a><tt class="py-lineno">  9</tt>  <tt class="py-line"><tt class="py-comment">#  This program is free software; you can redistribute it and/or modify</tt> </tt>
<a name="L10"></a><tt class="py-lineno"> 10</tt>  <tt class="py-line"><tt class="py-comment">#  it under the terms of the GNU General Public License as published by</tt> </tt>
<a name="L11"></a><tt class="py-lineno"> 11</tt>  <tt class="py-line"><tt class="py-comment">#  the Free Software Foundation; either version 2 of the License, or</tt> </tt>
<a name="L12"></a><tt class="py-lineno"> 12</tt>  <tt class="py-line"><tt class="py-comment">#  (at your option) any later version.</tt> </tt>
<a name="L13"></a><tt class="py-lineno"> 13</tt>  <tt class="py-line"><tt class="py-comment">#</tt> </tt>
<a name="L14"></a><tt class="py-lineno"> 14</tt>  <tt class="py-line"><tt class="py-comment">#  This program is distributed in the hope that it will be useful,</tt> </tt>
<a name="L15"></a><tt class="py-lineno"> 15</tt>  <tt class="py-line"><tt class="py-comment">#  but WITHOUT ANY WARRANTY; without even the implied warranty of</tt> </tt>
<a name="L16"></a><tt class="py-lineno"> 16</tt>  <tt class="py-line"><tt class="py-comment">#  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the</tt> </tt>
<a name="L17"></a><tt class="py-lineno"> 17</tt>  <tt class="py-line"><tt class="py-comment">#  GNU General Public License for more details.</tt> </tt>
<a name="L18"></a><tt class="py-lineno"> 18</tt>  <tt class="py-line"><tt class="py-comment">#</tt> </tt>
<a name="L19"></a><tt class="py-lineno"> 19</tt>  <tt class="py-line"><tt class="py-comment">#   You should have received a copy of the GNU General Public License</tt> </tt>
<a name="L20"></a><tt class="py-lineno"> 20</tt>  <tt class="py-line"><tt class="py-comment">#  along with this program; if not, write to the Free Software</tt> </tt>
<a name="L21"></a><tt class="py-lineno"> 21</tt>  <tt class="py-line"><tt class="py-comment">#  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA</tt> </tt>
<a name="L22"></a><tt class="py-lineno"> 22</tt>  <tt class="py-line"> </tt>
<a name="L23"></a><tt class="py-lineno"> 23</tt>  <tt class="py-line"> </tt>
<a name="L24"></a><tt class="py-lineno"> 24</tt>  <tt class="py-line"> </tt>
<a name="L25"></a><tt class="py-lineno"> 25</tt>  <tt class="py-line"><tt class="py-keyword">from</tt> <tt class="py-name">string</tt> <tt class="py-keyword">import</tt> <tt class="py-op">*</tt> </tt>
<a name="L26"></a><tt class="py-lineno"> 26</tt>  <tt class="py-line"><tt class="py-keyword">import</tt> <tt class="py-name">re</tt> </tt>
<a name="L27"></a><tt class="py-lineno"> 27</tt>  <tt class="py-line"><tt class="py-keyword">import</tt> <tt class="py-name">traceback</tt> </tt>
<a name="L28"></a><tt class="py-lineno"> 28</tt>  <tt class="py-line"><tt class="py-keyword">from</tt> <tt id="link-0" class="py-name" targets="Package p4vasp=p4vasp-module.html"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-0', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-1" class="py-name" targets="Module p4vasp.setutils=p4vasp.setutils-module.html"><a title="p4vasp.setutils" class="py-name" href="#" onclick="return doclink('link-1', 'setutils', 'link-1');">setutils</a></tt> <tt class="py-keyword">import</tt> <tt class="py-op">*</tt> </tt>
<a name="L29"></a><tt class="py-lineno"> 29</tt>  <tt class="py-line"> </tt>
<a name="L30"></a><tt class="py-lineno"> 30</tt>  <tt class="py-line"><tt id="link-2" class="py-name" targets="Variable p4vasp.Selection.t_all=p4vasp.Selection-module.html#t_all,Variable p4vasp.sellang.t_all=p4vasp.sellang-module.html#t_all"><a title="p4vasp.Selection.t_all
p4vasp.sellang.t_all" class="py-name" href="#" onclick="return doclink('link-2', 't_all', 'link-2');">t_all</a></tt>           <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^all$"</tt><tt class="py-op">)</tt> </tt>
<a name="L31"></a><tt class="py-lineno"> 31</tt>  <tt class="py-line"><tt id="link-3" class="py-name" targets="Variable p4vasp.Selection.t_num=p4vasp.Selection-module.html#t_num,Variable p4vasp.sellang.t_num=p4vasp.sellang-module.html#t_num"><a title="p4vasp.Selection.t_num
p4vasp.sellang.t_num" class="py-name" href="#" onclick="return doclink('link-3', 't_num', 'link-3');">t_num</a></tt>           <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^([0-9]+)$"</tt><tt class="py-op">)</tt> </tt>
<a name="L32"></a><tt class="py-lineno"> 32</tt>  <tt class="py-line"><tt id="link-4" class="py-name" targets="Variable p4vasp.Selection.t_lrange=p4vasp.Selection-module.html#t_lrange,Variable p4vasp.sellang.t_lrange=p4vasp.sellang-module.html#t_lrange"><a title="p4vasp.Selection.t_lrange
p4vasp.sellang.t_lrange" class="py-name" href="#" onclick="return doclink('link-4', 't_lrange', 'link-4');">t_lrange</a></tt>        <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^-([0-9]+)$"</tt><tt class="py-op">)</tt> </tt>
<a name="L33"></a><tt class="py-lineno"> 33</tt>  <tt class="py-line"><tt id="link-5" class="py-name" targets="Variable p4vasp.Selection.t_rrange=p4vasp.Selection-module.html#t_rrange,Variable p4vasp.sellang.t_rrange=p4vasp.sellang-module.html#t_rrange"><a title="p4vasp.Selection.t_rrange
p4vasp.sellang.t_rrange" class="py-name" href="#" onclick="return doclink('link-5', 't_rrange', 'link-5');">t_rrange</a></tt>        <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^([0-9]+)-$"</tt><tt class="py-op">)</tt> </tt>
<a name="L34"></a><tt class="py-lineno"> 34</tt>  <tt class="py-line"><tt id="link-6" class="py-name" targets="Variable p4vasp.Selection.t_range=p4vasp.Selection-module.html#t_range,Variable p4vasp.sellang.t_range=p4vasp.sellang-module.html#t_range"><a title="p4vasp.Selection.t_range
p4vasp.sellang.t_range" class="py-name" href="#" onclick="return doclink('link-6', 't_range', 'link-6');">t_range</a></tt>         <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^([0-9]+)-([0-9]+)$"</tt><tt class="py-op">)</tt> </tt>
<a name="L35"></a><tt class="py-lineno"> 35</tt>  <tt class="py-line"><tt id="link-7" class="py-name" targets="Variable p4vasp.Selection.t_spec=p4vasp.Selection-module.html#t_spec,Variable p4vasp.sellang.t_spec=p4vasp.sellang-module.html#t_spec"><a title="p4vasp.Selection.t_spec
p4vasp.sellang.t_spec" class="py-name" href="#" onclick="return doclink('link-7', 't_spec', 'link-7');">t_spec</a></tt>          <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^#([0-9]+)$"</tt><tt class="py-op">)</tt> </tt>
<a name="L36"></a><tt class="py-lineno"> 36</tt>  <tt class="py-line"><tt id="link-8" class="py-name" targets="Variable p4vasp.Selection.t_specnum=p4vasp.Selection-module.html#t_specnum,Variable p4vasp.sellang.t_specnum=p4vasp.sellang-module.html#t_specnum"><a title="p4vasp.Selection.t_specnum
p4vasp.sellang.t_specnum" class="py-name" href="#" onclick="return doclink('link-8', 't_specnum', 'link-8');">t_specnum</a></tt>       <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^#([0-9]+):([0-9]+)$"</tt><tt class="py-op">)</tt> </tt>
<a name="L37"></a><tt class="py-lineno"> 37</tt>  <tt class="py-line"><tt id="link-9" class="py-name" targets="Variable p4vasp.Selection.t_specrange=p4vasp.Selection-module.html#t_specrange,Variable p4vasp.sellang.t_specrange=p4vasp.sellang-module.html#t_specrange"><a title="p4vasp.Selection.t_specrange
p4vasp.sellang.t_specrange" class="py-name" href="#" onclick="return doclink('link-9', 't_specrange', 'link-9');">t_specrange</a></tt>     <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^#([0-9]+):([0-9]+)-([0-9]+)$"</tt><tt class="py-op">)</tt> </tt>
<a name="L38"></a><tt class="py-lineno"> 38</tt>  <tt class="py-line"><tt id="link-10" class="py-name" targets="Variable p4vasp.Selection.t_speclrange=p4vasp.Selection-module.html#t_speclrange,Variable p4vasp.sellang.t_speclrange=p4vasp.sellang-module.html#t_speclrange"><a title="p4vasp.Selection.t_speclrange
p4vasp.sellang.t_speclrange" class="py-name" href="#" onclick="return doclink('link-10', 't_speclrange', 'link-10');">t_speclrange</a></tt>    <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^#([0-9]+):-([0-9]+)$"</tt><tt class="py-op">)</tt> </tt>
<a name="L39"></a><tt class="py-lineno"> 39</tt>  <tt class="py-line"><tt id="link-11" class="py-name" targets="Variable p4vasp.Selection.t_specrrange=p4vasp.Selection-module.html#t_specrrange,Variable p4vasp.sellang.t_specrrange=p4vasp.sellang-module.html#t_specrrange"><a title="p4vasp.Selection.t_specrrange
p4vasp.sellang.t_specrrange" class="py-name" href="#" onclick="return doclink('link-11', 't_specrrange', 'link-11');">t_specrrange</a></tt>    <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^#([0-9]+):([0-9]+)-$"</tt><tt class="py-op">)</tt> </tt>
<a name="L40"></a><tt class="py-lineno"> 40</tt>  <tt class="py-line"><tt id="link-12" class="py-name" targets="Variable p4vasp.Selection.t_id=p4vasp.Selection-module.html#t_id,Variable p4vasp.sellang.t_id=p4vasp.sellang-module.html#t_id"><a title="p4vasp.Selection.t_id
p4vasp.sellang.t_id" class="py-name" href="#" onclick="return doclink('link-12', 't_id', 'link-12');">t_id</a></tt>            <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^([a-zA-Z_]+)$"</tt><tt class="py-op">)</tt> </tt>
<a name="L41"></a><tt class="py-lineno"> 41</tt>  <tt class="py-line"><tt id="link-13" class="py-name" targets="Variable p4vasp.Selection.t_idnum=p4vasp.Selection-module.html#t_idnum,Variable p4vasp.sellang.t_idnum=p4vasp.sellang-module.html#t_idnum"><a title="p4vasp.Selection.t_idnum
p4vasp.sellang.t_idnum" class="py-name" href="#" onclick="return doclink('link-13', 't_idnum', 'link-13');">t_idnum</a></tt>         <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^([a-zA-Z_]+):([0-9]+)$"</tt><tt class="py-op">)</tt> </tt>
<a name="L42"></a><tt class="py-lineno"> 42</tt>  <tt class="py-line"><tt id="link-14" class="py-name" targets="Variable p4vasp.Selection.t_idrange=p4vasp.Selection-module.html#t_idrange,Variable p4vasp.sellang.t_idrange=p4vasp.sellang-module.html#t_idrange"><a title="p4vasp.Selection.t_idrange
p4vasp.sellang.t_idrange" class="py-name" href="#" onclick="return doclink('link-14', 't_idrange', 'link-14');">t_idrange</a></tt>       <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^([a-zA-Z_]+):([0-9]+)-([0-9]+)$"</tt><tt class="py-op">)</tt> </tt>
<a name="L43"></a><tt class="py-lineno"> 43</tt>  <tt class="py-line"><tt id="link-15" class="py-name" targets="Variable p4vasp.Selection.t_idlrange=p4vasp.Selection-module.html#t_idlrange,Variable p4vasp.sellang.t_idlrange=p4vasp.sellang-module.html#t_idlrange"><a title="p4vasp.Selection.t_idlrange
p4vasp.sellang.t_idlrange" class="py-name" href="#" onclick="return doclink('link-15', 't_idlrange', 'link-15');">t_idlrange</a></tt>      <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^([a-zA-Z_]+):-([0-9]+)$"</tt><tt class="py-op">)</tt> </tt>
<a name="L44"></a><tt class="py-lineno"> 44</tt>  <tt class="py-line"><tt id="link-16" class="py-name" targets="Variable p4vasp.Selection.t_idrrange=p4vasp.Selection-module.html#t_idrrange,Variable p4vasp.sellang.t_idrrange=p4vasp.sellang-module.html#t_idrrange"><a title="p4vasp.Selection.t_idrrange
p4vasp.sellang.t_idrrange" class="py-name" href="#" onclick="return doclink('link-16', 't_idrrange', 'link-16');">t_idrrange</a></tt>      <tt class="py-op">=</tt> <tt class="py-name">re</tt><tt class="py-op">.</tt><tt class="py-name">compile</tt><tt class="py-op">(</tt><tt class="py-string">"^([a-zA-Z_]+):([0-9]+)-$"</tt><tt class="py-op">)</tt> </tt>
<a name="L45"></a><tt class="py-lineno"> 45</tt>  <tt class="py-line"> </tt>
<a name="L46"></a><tt class="py-lineno"> 46</tt>  <tt class="py-line"> </tt>
<a name="getRangeForSpec"></a><div id="getRangeForSpec-def"><a name="L47"></a><tt class="py-lineno"> 47</tt> <a class="py-toggle" href="#" id="getRangeForSpec-toggle" onclick="return toggle('getRangeForSpec');">-</a><tt class="py-line"><tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.sellang-module.html#getRangeForSpec">getRangeForSpec</a><tt class="py-op">(</tt><tt class="py-param">n</tt><tt class="py-op">,</tt><tt class="py-param">struct</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="getRangeForSpec-collapsed" style="display:none;" pad="+++" indent="++++"></div><div id="getRangeForSpec-expanded"><a name="L48"></a><tt class="py-lineno"> 48</tt>  <tt class="py-line">    <tt class="py-name">before</tt><tt class="py-op">=</tt><tt class="py-number">0</tt> </tt>
<a name="L49"></a><tt class="py-lineno"> 49</tt>  <tt class="py-line">    <tt class="py-name">info</tt><tt class="py-op">=</tt><tt class="py-name">struct</tt><tt class="py-op">.</tt><tt class="py-name">info</tt> </tt>
<a name="L50"></a><tt class="py-lineno"> 50</tt>  <tt class="py-line">    <tt class="py-keyword">if</tt> <tt id="link-17" class="py-name" targets="Variable p4vasp.cmatrix.Matrix.n=p4vasp.cmatrix.Matrix-class.html#n,Variable p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n=p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D-class.html#n"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-17', 'n', 'link-17');">n</a></tt><tt class="py-op">&gt;=</tt><tt id="link-18" class="py-name" targets="Method p4vasp.cStructure.Structure.len()=p4vasp.cStructure.Structure-class.html#len"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-18', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">info</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L51"></a><tt class="py-lineno"> 51</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-op">[</tt><tt class="py-op">]</tt> </tt>
<a name="L52"></a><tt class="py-lineno"> 52</tt>  <tt class="py-line">    <tt class="py-keyword">for</tt> <tt id="link-19" class="py-name" targets="Variable p4vasp.paint3d.OpenGLPaint3D.i=p4vasp.paint3d.OpenGLPaint3D-module.html#i"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-19', 'i', 'link-19');">i</a></tt> <tt class="py-keyword">in</tt> <tt class="py-name">range</tt><tt class="py-op">(</tt><tt id="link-20" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-20', 'n', 'link-17');">n</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L53"></a><tt class="py-lineno"> 53</tt>  <tt class="py-line">        <tt class="py-name">before</tt><tt class="py-op">+=</tt><tt class="py-name">info</tt><tt class="py-op">[</tt><tt id="link-21" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-21', 'i', 'link-19');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">.</tt><tt class="py-name">atomspertype</tt> </tt>
<a name="L54"></a><tt class="py-lineno"> 54</tt>  <tt class="py-line">    <tt class="py-keyword">return</tt> <tt class="py-name">range</tt><tt class="py-op">(</tt><tt class="py-name">before</tt><tt class="py-op">,</tt><tt class="py-name">before</tt><tt class="py-op">+</tt><tt class="py-name">info</tt><tt class="py-op">[</tt><tt id="link-22" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-22', 'n', 'link-17');">n</a></tt><tt class="py-op">]</tt><tt class="py-op">.</tt><tt class="py-name">atomspertype</tt><tt class="py-op">)</tt> </tt>
</div><a name="L55"></a><tt class="py-lineno"> 55</tt>  <tt class="py-line"> </tt>
<a name="getRangeForId"></a><div id="getRangeForId-def"><a name="L56"></a><tt class="py-lineno"> 56</tt> <a class="py-toggle" href="#" id="getRangeForId-toggle" onclick="return toggle('getRangeForId');">-</a><tt class="py-line"><tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.sellang-module.html#getRangeForId">getRangeForId</a><tt class="py-op">(</tt><tt class="py-param">I</tt><tt class="py-op">,</tt><tt class="py-param">struct</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="getRangeForId-collapsed" style="display:none;" pad="+++" indent="++++"></div><div id="getRangeForId-expanded"><a name="L57"></a><tt class="py-lineno"> 57</tt>  <tt class="py-line">    <tt class="py-name">info</tt><tt class="py-op">=</tt><tt class="py-name">struct</tt><tt class="py-op">.</tt><tt class="py-name">info</tt> </tt>
<a name="L58"></a><tt class="py-lineno"> 58</tt>  <tt class="py-line">    <tt class="py-name">l</tt><tt class="py-op">=</tt><tt class="py-op">[</tt><tt class="py-op">]</tt> </tt>
<a name="L59"></a><tt class="py-lineno"> 59</tt>  <tt class="py-line">    <tt class="py-name">before</tt><tt class="py-op">=</tt><tt class="py-number">0</tt> </tt>
<a name="L60"></a><tt class="py-lineno"> 60</tt>  <tt class="py-line">    <tt class="py-keyword">for</tt> <tt id="link-23" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-23', 'i', 'link-19');">i</a></tt> <tt class="py-keyword">in</tt> <tt class="py-name">range</tt><tt class="py-op">(</tt><tt id="link-24" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-24', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">info</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L61"></a><tt class="py-lineno"> 61</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">strip</tt><tt class="py-op">(</tt><tt class="py-name">info</tt><tt class="py-op">[</tt><tt id="link-25" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-25', 'i', 'link-19');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">.</tt><tt id="link-26" class="py-name" targets="Variable p4vasp.cStructure.AtomInfo.element=p4vasp.cStructure.AtomInfo-class.html#element"><a title="p4vasp.cStructure.AtomInfo.element" class="py-name" href="#" onclick="return doclink('link-26', 'element', 'link-26');">element</a></tt><tt class="py-op">)</tt><tt class="py-op">==</tt><tt class="py-name">I</tt><tt class="py-op">:</tt> </tt>
<a name="L62"></a><tt class="py-lineno"> 62</tt>  <tt class="py-line">            <tt class="py-name">l</tt><tt class="py-op">.</tt><tt id="link-27" class="py-name" targets="Method p4vasp.Structure.AtomInfo.extend()=p4vasp.Structure.AtomInfo-class.html#extend,Method p4vasp.Structure.Structure.extend()=p4vasp.Structure.Structure-class.html#extend,Method p4vasp.cStructure.AtomInfo.extend()=p4vasp.cStructure.AtomInfo-class.html#extend,Method p4vasp.cStructure.Structure.extend()=p4vasp.cStructure.Structure-class.html#extend,Method p4vasp.graph.Graph.extend()=p4vasp.graph.Graph-class.html#extend,Method p4vasp.graph.World.extend()=p4vasp.graph.World-class.html#extend"><a title="p4vasp.Structure.AtomInfo.extend
p4vasp.Structure.Structure.extend
p4vasp.cStructure.AtomInfo.extend
p4vasp.cStructure.Structure.extend
p4vasp.graph.Graph.extend
p4vasp.graph.World.extend" class="py-name" href="#" onclick="return doclink('link-27', 'extend', 'link-27');">extend</a></tt><tt class="py-op">(</tt><tt class="py-name">range</tt><tt class="py-op">(</tt><tt class="py-name">before</tt><tt class="py-op">,</tt><tt class="py-name">before</tt><tt class="py-op">+</tt><tt class="py-name">info</tt><tt class="py-op">[</tt><tt id="link-28" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-28', 'i', 'link-19');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">.</tt><tt class="py-name">atomspertype</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L63"></a><tt class="py-lineno"> 63</tt>  <tt class="py-line">        <tt class="py-name">before</tt><tt class="py-op">+=</tt><tt class="py-name">info</tt><tt class="py-op">[</tt><tt id="link-29" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-29', 'i', 'link-19');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">.</tt><tt class="py-name">atomspertype</tt> </tt>
<a name="L64"></a><tt class="py-lineno"> 64</tt>  <tt class="py-line">    <tt class="py-keyword">return</tt> <tt class="py-name">l</tt> </tt>
</div><a name="L65"></a><tt class="py-lineno"> 65</tt>  <tt class="py-line"> </tt>
<a name="decode"></a><div id="decode-def"><a name="L66"></a><tt class="py-lineno"> 66</tt> <a class="py-toggle" href="#" id="decode-toggle" onclick="return toggle('decode');">-</a><tt class="py-line"><tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.sellang-module.html#decode">decode</a><tt class="py-op">(</tt><tt class="py-param">text</tt><tt class="py-op">,</tt><tt class="py-param">struct</tt><tt class="py-op">=</tt><tt class="py-name">None</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="decode-collapsed" style="display:none;" pad="+++" indent="++++"></div><div id="decode-expanded"><a name="L67"></a><tt class="py-lineno"> 67</tt>  <tt class="py-line">    <tt class="py-docstring">"""Decode selection from text.</tt> </tt>
<a name="L68"></a><tt class="py-lineno"> 68</tt>  <tt class="py-line"><tt class="py-docstring">  If text contains a *selection* in the selection language, and (optionally)</tt> </tt>
<a name="L69"></a><tt class="py-lineno"> 69</tt>  <tt class="py-line"><tt class="py-docstring">  struct contains the structure, this function returns a list of indexes</tt> </tt>
<a name="L70"></a><tt class="py-lineno"> 70</tt>  <tt class="py-line"><tt class="py-docstring">  of the selected atoms.</tt> </tt>
<a name="L71"></a><tt class="py-lineno"> 71</tt>  <tt class="py-line"><tt class="py-docstring">  A valid Structure with AtomInfo is needed if the species indexes and/or elements</tt> </tt>
<a name="L72"></a><tt class="py-lineno"> 72</tt>  <tt class="py-line"><tt class="py-docstring">  are used in the selection string.</tt> </tt>
<a name="L73"></a><tt class="py-lineno"> 73</tt>  <tt class="py-line"><tt class="py-docstring">    """</tt> </tt>
<a name="L74"></a><tt class="py-lineno"> 74</tt>  <tt class="py-line">    <tt class="py-name">l</tt><tt class="py-op">=</tt><tt class="py-op">[</tt><tt class="py-op">]</tt> </tt>
<a name="L75"></a><tt class="py-lineno"> 75</tt>  <tt class="py-line">    <tt class="py-name">v</tt><tt class="py-op">=</tt><tt class="py-name">split</tt><tt class="py-op">(</tt><tt class="py-name">text</tt><tt class="py-op">)</tt> </tt>
<a name="L76"></a><tt class="py-lineno"> 76</tt>  <tt class="py-line">    <tt class="py-keyword">for</tt> <tt class="py-name">x</tt> <tt class="py-keyword">in</tt> <tt class="py-name">v</tt><tt class="py-op">:</tt> </tt>
<a name="L77"></a><tt class="py-lineno"> 77</tt>  <tt class="py-line">        <tt class="py-keyword">try</tt><tt class="py-op">:</tt> </tt>
<a name="L78"></a><tt class="py-lineno"> 78</tt>  <tt class="py-line">            <tt id="link-30" class="py-name" targets="Variable p4vasp.cmatrix.Matrix.m=p4vasp.cmatrix.Matrix-class.html#m"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-30', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-31" class="py-name"><a title="p4vasp.Selection.t_all
p4vasp.sellang.t_all" class="py-name" href="#" onclick="return doclink('link-31', 't_all', 'link-2');">t_all</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L79"></a><tt class="py-lineno"> 79</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-32" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-32', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L80"></a><tt class="py-lineno"> 80</tt>  <tt class="py-line">                <tt class="py-keyword">return</tt> <tt class="py-name">range</tt><tt class="py-op">(</tt><tt id="link-33" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-33', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">struct</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L81"></a><tt class="py-lineno"> 81</tt>  <tt class="py-line">            <tt id="link-34" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-34', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-35" class="py-name"><a title="p4vasp.Selection.t_num
p4vasp.sellang.t_num" class="py-name" href="#" onclick="return doclink('link-35', 't_num', 'link-3');">t_num</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L82"></a><tt class="py-lineno"> 82</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-36" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-36', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L83"></a><tt class="py-lineno"> 83</tt>  <tt class="py-line">                <tt id="link-37" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-37', 'n', 'link-17');">n</a></tt><tt class="py-op">=</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-38" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-38', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt> </tt>
<a name="L84"></a><tt class="py-lineno"> 84</tt>  <tt class="py-line">                <tt class="py-keyword">if</tt> <tt id="link-39" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-39', 'n', 'link-17');">n</a></tt> <tt class="py-keyword">not</tt> <tt class="py-keyword">in</tt> <tt class="py-name">l</tt><tt class="py-op">:</tt> </tt>
<a name="L85"></a><tt class="py-lineno"> 85</tt>  <tt class="py-line">                    <tt class="py-name">l</tt><tt class="py-op">.</tt><tt id="link-40" class="py-name" targets="Method p4vasp.Structure.AtomInfo.append()=p4vasp.Structure.AtomInfo-class.html#append,Method p4vasp.Structure.Structure.append()=p4vasp.Structure.Structure-class.html#append,Method p4vasp.cStructure.AtomInfo.append()=p4vasp.cStructure.AtomInfo-class.html#append,Method p4vasp.cStructure.Structure.append()=p4vasp.cStructure.Structure-class.html#append,Method p4vasp.graph.Graph.append()=p4vasp.graph.Graph-class.html#append,Method p4vasp.graph.World.append()=p4vasp.graph.World-class.html#append,Method p4vasp.repository.Repository.append()=p4vasp.repository.Repository-class.html#append"><a title="p4vasp.Structure.AtomInfo.append
p4vasp.Structure.Structure.append
p4vasp.cStructure.AtomInfo.append
p4vasp.cStructure.Structure.append
p4vasp.graph.Graph.append
p4vasp.graph.World.append
p4vasp.repository.Repository.append" class="py-name" href="#" onclick="return doclink('link-40', 'append', 'link-40');">append</a></tt><tt class="py-op">(</tt><tt id="link-41" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-41', 'n', 'link-17');">n</a></tt><tt class="py-op">)</tt> </tt>
<a name="L86"></a><tt class="py-lineno"> 86</tt>  <tt class="py-line">                <tt class="py-keyword">continue</tt> </tt>
<a name="L87"></a><tt class="py-lineno"> 87</tt>  <tt class="py-line">            <tt id="link-42" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-42', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-43" class="py-name"><a title="p4vasp.Selection.t_lrange
p4vasp.sellang.t_lrange" class="py-name" href="#" onclick="return doclink('link-43', 't_lrange', 'link-4');">t_lrange</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L88"></a><tt class="py-lineno"> 88</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-44" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-44', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L89"></a><tt class="py-lineno"> 89</tt>  <tt class="py-line">                <tt id="link-45" class="py-name" targets="Function p4vasp.setutils.append_set()=p4vasp.setutils-module.html#append_set"><a title="p4vasp.setutils.append_set" class="py-name" href="#" onclick="return doclink('link-45', 'append_set', 'link-45');">append_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt class="py-name">range</tt><tt class="py-op">(</tt><tt class="py-number">0</tt><tt class="py-op">,</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-46" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-46', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L90"></a><tt class="py-lineno"> 90</tt>  <tt class="py-line">                <tt class="py-keyword">continue</tt> </tt>
<a name="L91"></a><tt class="py-lineno"> 91</tt>  <tt class="py-line">            <tt id="link-47" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-47', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-48" class="py-name"><a title="p4vasp.Selection.t_rrange
p4vasp.sellang.t_rrange" class="py-name" href="#" onclick="return doclink('link-48', 't_rrange', 'link-5');">t_rrange</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L92"></a><tt class="py-lineno"> 92</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-49" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-49', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L93"></a><tt class="py-lineno"> 93</tt>  <tt class="py-line">                <tt id="link-50" class="py-name"><a title="p4vasp.setutils.append_set" class="py-name" href="#" onclick="return doclink('link-50', 'append_set', 'link-45');">append_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt class="py-name">range</tt><tt class="py-op">(</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-51" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-51', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt id="link-52" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-52', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">struct</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L94"></a><tt class="py-lineno"> 94</tt>  <tt class="py-line">                <tt class="py-keyword">continue</tt> </tt>
<a name="L95"></a><tt class="py-lineno"> 95</tt>  <tt class="py-line">            <tt id="link-53" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-53', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-54" class="py-name"><a title="p4vasp.Selection.t_range
p4vasp.sellang.t_range" class="py-name" href="#" onclick="return doclink('link-54', 't_range', 'link-6');">t_range</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L96"></a><tt class="py-lineno"> 96</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-55" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-55', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L97"></a><tt class="py-lineno"> 97</tt>  <tt class="py-line">                <tt id="link-56" class="py-name"><a title="p4vasp.setutils.append_set" class="py-name" href="#" onclick="return doclink('link-56', 'append_set', 'link-45');">append_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt class="py-name">range</tt><tt class="py-op">(</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-57" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-57', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">,</tt> <tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-58" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-58', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">2</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L98"></a><tt class="py-lineno"> 98</tt>  <tt class="py-line">                <tt class="py-keyword">continue</tt> </tt>
<a name="L99"></a><tt class="py-lineno"> 99</tt>  <tt class="py-line">            <tt id="link-59" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-59', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-60" class="py-name"><a title="p4vasp.Selection.t_spec
p4vasp.sellang.t_spec" class="py-name" href="#" onclick="return doclink('link-60', 't_spec', 'link-7');">t_spec</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L100"></a><tt class="py-lineno">100</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-61" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-61', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L101"></a><tt class="py-lineno">101</tt>  <tt class="py-line">                <tt id="link-62" class="py-name"><a title="p4vasp.setutils.append_set" class="py-name" href="#" onclick="return doclink('link-62', 'append_set', 'link-45');">append_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt id="link-63" class="py-name" targets="Function p4vasp.sellang.getRangeForSpec()=p4vasp.sellang-module.html#getRangeForSpec"><a title="p4vasp.sellang.getRangeForSpec" class="py-name" href="#" onclick="return doclink('link-63', 'getRangeForSpec', 'link-63');">getRangeForSpec</a></tt><tt class="py-op">(</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-64" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-64', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt class="py-name">struct</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L102"></a><tt class="py-lineno">102</tt>  <tt class="py-line">                <tt class="py-keyword">continue</tt> </tt>
<a name="L103"></a><tt class="py-lineno">103</tt>  <tt class="py-line">            <tt id="link-65" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-65', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-66" class="py-name"><a title="p4vasp.Selection.t_specnum
p4vasp.sellang.t_specnum" class="py-name" href="#" onclick="return doclink('link-66', 't_specnum', 'link-8');">t_specnum</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L104"></a><tt class="py-lineno">104</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-67" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-67', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L105"></a><tt class="py-lineno">105</tt>  <tt class="py-line">                <tt id="link-68" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-68', 'n', 'link-17');">n</a></tt><tt class="py-op">=</tt><tt id="link-69" class="py-name"><a title="p4vasp.sellang.getRangeForSpec" class="py-name" href="#" onclick="return doclink('link-69', 'getRangeForSpec', 'link-63');">getRangeForSpec</a></tt><tt class="py-op">(</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-70" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-70', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt class="py-name">struct</tt><tt class="py-op">)</tt><tt class="py-op">[</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-71" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-71', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">2</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">]</tt> </tt>
<a name="L106"></a><tt class="py-lineno">106</tt>  <tt class="py-line">                <tt class="py-keyword">if</tt> <tt id="link-72" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-72', 'n', 'link-17');">n</a></tt> <tt class="py-keyword">not</tt> <tt class="py-keyword">in</tt> <tt class="py-name">l</tt><tt class="py-op">:</tt> </tt>
<a name="L107"></a><tt class="py-lineno">107</tt>  <tt class="py-line">                    <tt class="py-name">l</tt><tt class="py-op">.</tt><tt id="link-73" class="py-name"><a title="p4vasp.Structure.AtomInfo.append
p4vasp.Structure.Structure.append
p4vasp.cStructure.AtomInfo.append
p4vasp.cStructure.Structure.append
p4vasp.graph.Graph.append
p4vasp.graph.World.append
p4vasp.repository.Repository.append" class="py-name" href="#" onclick="return doclink('link-73', 'append', 'link-40');">append</a></tt><tt class="py-op">(</tt><tt id="link-74" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-74', 'n', 'link-17');">n</a></tt><tt class="py-op">)</tt> </tt>
<a name="L108"></a><tt class="py-lineno">108</tt>  <tt class="py-line">                <tt class="py-keyword">continue</tt> </tt>
<a name="L109"></a><tt class="py-lineno">109</tt>  <tt class="py-line">            <tt id="link-75" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-75', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-76" class="py-name"><a title="p4vasp.Selection.t_speclrange
p4vasp.sellang.t_speclrange" class="py-name" href="#" onclick="return doclink('link-76', 't_speclrange', 'link-10');">t_speclrange</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L110"></a><tt class="py-lineno">110</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-77" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-77', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L111"></a><tt class="py-lineno">111</tt>  <tt class="py-line">                <tt id="link-78" class="py-name"><a title="p4vasp.setutils.append_set" class="py-name" href="#" onclick="return doclink('link-78', 'append_set', 'link-45');">append_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt id="link-79" class="py-name"><a title="p4vasp.sellang.getRangeForSpec" class="py-name" href="#" onclick="return doclink('link-79', 'getRangeForSpec', 'link-63');">getRangeForSpec</a></tt><tt class="py-op">(</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-80" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-80', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt class="py-name">struct</tt><tt class="py-op">)</tt><tt class="py-op">[</tt><tt class="py-op">:</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-81" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-81', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">2</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L112"></a><tt class="py-lineno">112</tt>  <tt class="py-line">                <tt class="py-keyword">continue</tt> </tt>
<a name="L113"></a><tt class="py-lineno">113</tt>  <tt class="py-line">            <tt id="link-82" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-82', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-83" class="py-name"><a title="p4vasp.Selection.t_specrrange
p4vasp.sellang.t_specrrange" class="py-name" href="#" onclick="return doclink('link-83', 't_specrrange', 'link-11');">t_specrrange</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L114"></a><tt class="py-lineno">114</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-84" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-84', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L115"></a><tt class="py-lineno">115</tt>  <tt class="py-line">                <tt id="link-85" class="py-name"><a title="p4vasp.setutils.append_set" class="py-name" href="#" onclick="return doclink('link-85', 'append_set', 'link-45');">append_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt id="link-86" class="py-name"><a title="p4vasp.sellang.getRangeForSpec" class="py-name" href="#" onclick="return doclink('link-86', 'getRangeForSpec', 'link-63');">getRangeForSpec</a></tt><tt class="py-op">(</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-87" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-87', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt class="py-name">struct</tt><tt class="py-op">)</tt><tt class="py-op">[</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-88" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-88', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">2</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">:</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L116"></a><tt class="py-lineno">116</tt>  <tt class="py-line">                <tt class="py-keyword">continue</tt> </tt>
<a name="L117"></a><tt class="py-lineno">117</tt>  <tt class="py-line">            <tt id="link-89" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-89', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-90" class="py-name"><a title="p4vasp.Selection.t_specrange
p4vasp.sellang.t_specrange" class="py-name" href="#" onclick="return doclink('link-90', 't_specrange', 'link-9');">t_specrange</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L118"></a><tt class="py-lineno">118</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-91" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-91', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L119"></a><tt class="py-lineno">119</tt>  <tt class="py-line">                <tt id="link-92" class="py-name"><a title="p4vasp.setutils.append_set" class="py-name" href="#" onclick="return doclink('link-92', 'append_set', 'link-45');">append_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt id="link-93" class="py-name"><a title="p4vasp.sellang.getRangeForSpec" class="py-name" href="#" onclick="return doclink('link-93', 'getRangeForSpec', 'link-63');">getRangeForSpec</a></tt><tt class="py-op">(</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-94" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-94', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt class="py-name">struct</tt><tt class="py-op">)</tt><tt class="py-op">[</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-95" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-95', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">2</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">:</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-96" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-96', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">3</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L120"></a><tt class="py-lineno">120</tt>  <tt class="py-line">                <tt class="py-keyword">continue</tt> </tt>
<a name="L121"></a><tt class="py-lineno">121</tt>  <tt class="py-line">            <tt id="link-97" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-97', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-98" class="py-name"><a title="p4vasp.Selection.t_id
p4vasp.sellang.t_id" class="py-name" href="#" onclick="return doclink('link-98', 't_id', 'link-12');">t_id</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L122"></a><tt class="py-lineno">122</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-99" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-99', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L123"></a><tt class="py-lineno">123</tt>  <tt class="py-line">                <tt id="link-100" class="py-name"><a title="p4vasp.setutils.append_set" class="py-name" href="#" onclick="return doclink('link-100', 'append_set', 'link-45');">append_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt id="link-101" class="py-name" targets="Function p4vasp.sellang.getRangeForId()=p4vasp.sellang-module.html#getRangeForId"><a title="p4vasp.sellang.getRangeForId" class="py-name" href="#" onclick="return doclink('link-101', 'getRangeForId', 'link-101');">getRangeForId</a></tt><tt class="py-op">(</tt><tt id="link-102" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-102', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">,</tt><tt class="py-name">struct</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L124"></a><tt class="py-lineno">124</tt>  <tt class="py-line">                <tt class="py-keyword">continue</tt> </tt>
<a name="L125"></a><tt class="py-lineno">125</tt>  <tt class="py-line">            <tt id="link-103" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-103', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-104" class="py-name"><a title="p4vasp.Selection.t_idnum
p4vasp.sellang.t_idnum" class="py-name" href="#" onclick="return doclink('link-104', 't_idnum', 'link-13');">t_idnum</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L126"></a><tt class="py-lineno">126</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-105" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-105', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L127"></a><tt class="py-lineno">127</tt>  <tt class="py-line">                <tt id="link-106" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-106', 'n', 'link-17');">n</a></tt><tt class="py-op">=</tt><tt id="link-107" class="py-name"><a title="p4vasp.sellang.getRangeForId" class="py-name" href="#" onclick="return doclink('link-107', 'getRangeForId', 'link-101');">getRangeForId</a></tt><tt class="py-op">(</tt><tt id="link-108" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-108', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">,</tt><tt class="py-name">struct</tt><tt class="py-op">)</tt><tt class="py-op">[</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-109" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-109', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">2</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">]</tt> </tt>
<a name="L128"></a><tt class="py-lineno">128</tt>  <tt class="py-line">                <tt class="py-keyword">if</tt> <tt id="link-110" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-110', 'n', 'link-17');">n</a></tt> <tt class="py-keyword">not</tt> <tt class="py-keyword">in</tt> <tt class="py-name">l</tt><tt class="py-op">:</tt> </tt>
<a name="L129"></a><tt class="py-lineno">129</tt>  <tt class="py-line">                    <tt class="py-name">l</tt><tt class="py-op">.</tt><tt id="link-111" class="py-name"><a title="p4vasp.Structure.AtomInfo.append
p4vasp.Structure.Structure.append
p4vasp.cStructure.AtomInfo.append
p4vasp.cStructure.Structure.append
p4vasp.graph.Graph.append
p4vasp.graph.World.append
p4vasp.repository.Repository.append" class="py-name" href="#" onclick="return doclink('link-111', 'append', 'link-40');">append</a></tt><tt class="py-op">(</tt><tt id="link-112" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-112', 'n', 'link-17');">n</a></tt><tt class="py-op">)</tt> </tt>
<a name="L130"></a><tt class="py-lineno">130</tt>  <tt class="py-line">                <tt class="py-keyword">continue</tt> </tt>
<a name="L131"></a><tt class="py-lineno">131</tt>  <tt class="py-line">            <tt id="link-113" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-113', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-114" class="py-name"><a title="p4vasp.Selection.t_idlrange
p4vasp.sellang.t_idlrange" class="py-name" href="#" onclick="return doclink('link-114', 't_idlrange', 'link-15');">t_idlrange</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L132"></a><tt class="py-lineno">132</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-115" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-115', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L133"></a><tt class="py-lineno">133</tt>  <tt class="py-line">                <tt id="link-116" class="py-name"><a title="p4vasp.setutils.append_set" class="py-name" href="#" onclick="return doclink('link-116', 'append_set', 'link-45');">append_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt id="link-117" class="py-name"><a title="p4vasp.sellang.getRangeForId" class="py-name" href="#" onclick="return doclink('link-117', 'getRangeForId', 'link-101');">getRangeForId</a></tt><tt class="py-op">(</tt><tt id="link-118" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-118', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">,</tt><tt class="py-name">struct</tt><tt class="py-op">)</tt><tt class="py-op">[</tt><tt class="py-op">:</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-119" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-119', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">2</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L134"></a><tt class="py-lineno">134</tt>  <tt class="py-line">                <tt class="py-keyword">continue</tt> </tt>
<a name="L135"></a><tt class="py-lineno">135</tt>  <tt class="py-line">            <tt id="link-120" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-120', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-121" class="py-name"><a title="p4vasp.Selection.t_idrrange
p4vasp.sellang.t_idrrange" class="py-name" href="#" onclick="return doclink('link-121', 't_idrrange', 'link-16');">t_idrrange</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L136"></a><tt class="py-lineno">136</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-122" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-122', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L137"></a><tt class="py-lineno">137</tt>  <tt class="py-line">                <tt id="link-123" class="py-name"><a title="p4vasp.setutils.append_set" class="py-name" href="#" onclick="return doclink('link-123', 'append_set', 'link-45');">append_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt id="link-124" class="py-name"><a title="p4vasp.sellang.getRangeForId" class="py-name" href="#" onclick="return doclink('link-124', 'getRangeForId', 'link-101');">getRangeForId</a></tt><tt class="py-op">(</tt><tt id="link-125" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-125', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">,</tt><tt class="py-name">struct</tt><tt class="py-op">)</tt><tt class="py-op">[</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-126" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-126', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">2</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">:</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L138"></a><tt class="py-lineno">138</tt>  <tt class="py-line">                <tt class="py-keyword">continue</tt> </tt>
<a name="L139"></a><tt class="py-lineno">139</tt>  <tt class="py-line">            <tt id="link-127" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-127', 'm', 'link-30');">m</a></tt><tt class="py-op">=</tt><tt id="link-128" class="py-name"><a title="p4vasp.Selection.t_idrange
p4vasp.sellang.t_idrange" class="py-name" href="#" onclick="return doclink('link-128', 't_idrange', 'link-14');">t_idrange</a></tt><tt class="py-op">.</tt><tt class="py-name">match</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
<a name="L140"></a><tt class="py-lineno">140</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-129" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-129', 'm', 'link-30');">m</a></tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L141"></a><tt class="py-lineno">141</tt>  <tt class="py-line">                <tt id="link-130" class="py-name"><a title="p4vasp.setutils.append_set" class="py-name" href="#" onclick="return doclink('link-130', 'append_set', 'link-45');">append_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt id="link-131" class="py-name"><a title="p4vasp.sellang.getRangeForId" class="py-name" href="#" onclick="return doclink('link-131', 'getRangeForId', 'link-101');">getRangeForId</a></tt><tt class="py-op">(</tt><tt id="link-132" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-132', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">,</tt><tt class="py-name">struct</tt><tt class="py-op">)</tt><tt class="py-op">[</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-133" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-133', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">2</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">:</tt><tt class="py-name">int</tt><tt class="py-op">(</tt><tt id="link-134" class="py-name"><a title="p4vasp.cmatrix.Matrix.m" class="py-name" href="#" onclick="return doclink('link-134', 'm', 'link-30');">m</a></tt><tt class="py-op">.</tt><tt class="py-name">group</tt><tt class="py-op">(</tt><tt class="py-number">3</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L142"></a><tt class="py-lineno">142</tt>  <tt class="py-line">                <tt class="py-keyword">continue</tt> </tt>
<a name="L143"></a><tt class="py-lineno">143</tt>  <tt class="py-line">        <tt class="py-keyword">except</tt><tt class="py-op">:</tt> </tt>
<a name="L144"></a><tt class="py-lineno">144</tt>  <tt class="py-line">            <tt class="py-name">traceback</tt><tt class="py-op">.</tt><tt class="py-name">print_exc</tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L145"></a><tt class="py-lineno">145</tt>  <tt class="py-line"><tt class="py-comment">#  l.sort()</tt> </tt>
<a name="L146"></a><tt class="py-lineno">146</tt>  <tt class="py-line">    <tt class="py-keyword">return</tt> <tt class="py-name">l</tt> </tt>
</div><a name="L147"></a><tt class="py-lineno">147</tt>  <tt class="py-line"><tt class="py-comment">#  return map(int,split(text))</tt> </tt>
<a name="L148"></a><tt class="py-lineno">148</tt>  <tt class="py-line"> </tt>
<a name="encode"></a><div id="encode-def"><a name="L149"></a><tt class="py-lineno">149</tt> <a class="py-toggle" href="#" id="encode-toggle" onclick="return toggle('encode');">-</a><tt class="py-line"><tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.sellang-module.html#encode">encode</a><tt class="py-op">(</tt><tt class="py-param">sel</tt><tt class="py-op">,</tt><tt class="py-param">struct</tt><tt class="py-op">=</tt><tt class="py-name">None</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="encode-collapsed" style="display:none;" pad="+++" indent="++++"></div><div id="encode-expanded"><a name="L150"></a><tt class="py-lineno">150</tt>  <tt class="py-line">    <tt class="py-keyword">if</tt> <tt id="link-135" class="py-name" targets="Function p4vasp.setutils.contains_set()=p4vasp.setutils-module.html#contains_set"><a title="p4vasp.setutils.contains_set" class="py-name" href="#" onclick="return doclink('link-135', 'contains_set', 'link-135');">contains_set</a></tt><tt class="py-op">(</tt><tt class="py-name">sel</tt><tt class="py-op">,</tt><tt class="py-name">range</tt><tt class="py-op">(</tt><tt id="link-136" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-136', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">struct</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L151"></a><tt class="py-lineno">151</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-string">"all"</tt> </tt>
<a name="L152"></a><tt class="py-lineno">152</tt>  <tt class="py-line">    <tt class="py-name">info</tt><tt class="py-op">=</tt><tt class="py-name">struct</tt><tt class="py-op">.</tt><tt class="py-name">info</tt> </tt>
<a name="L153"></a><tt class="py-lineno">153</tt>  <tt class="py-line">    <tt class="py-name">l</tt><tt class="py-op">=</tt><tt class="py-name">sel</tt><tt class="py-op">[</tt><tt class="py-op">:</tt><tt class="py-op">]</tt> </tt>
<a name="L154"></a><tt class="py-lineno">154</tt>  <tt class="py-line">    <tt class="py-name">before</tt><tt class="py-op">=</tt><tt class="py-number">0</tt> </tt>
<a name="L155"></a><tt class="py-lineno">155</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">""</tt> </tt>
<a name="L156"></a><tt class="py-lineno">156</tt>  <tt class="py-line">    <tt class="py-keyword">for</tt> <tt id="link-137" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-137', 'i', 'link-19');">i</a></tt> <tt class="py-keyword">in</tt> <tt class="py-name">range</tt><tt class="py-op">(</tt><tt id="link-138" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-138', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">info</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L157"></a><tt class="py-lineno">157</tt>  <tt class="py-line">        <tt class="py-name">r</tt><tt class="py-op">=</tt><tt class="py-name">range</tt><tt class="py-op">(</tt><tt class="py-name">before</tt><tt class="py-op">,</tt><tt class="py-name">before</tt><tt class="py-op">+</tt><tt class="py-name">info</tt><tt class="py-op">[</tt><tt id="link-139" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-139', 'i', 'link-19');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">.</tt><tt class="py-name">atomspertype</tt><tt class="py-op">)</tt> </tt>
<a name="L158"></a><tt class="py-lineno">158</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt id="link-140" class="py-name"><a title="p4vasp.setutils.contains_set" class="py-name" href="#" onclick="return doclink('link-140', 'contains_set', 'link-135');">contains_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt class="py-name">r</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L159"></a><tt class="py-lineno">159</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-141" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-141', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L160"></a><tt class="py-lineno">160</tt>  <tt class="py-line">                <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-string">" "</tt> </tt>
<a name="L161"></a><tt class="py-lineno">161</tt>  <tt class="py-line">            <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-name">strip</tt><tt class="py-op">(</tt><tt class="py-name">info</tt><tt class="py-op">[</tt><tt id="link-142" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-142', 'i', 'link-19');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">.</tt><tt id="link-143" class="py-name"><a title="p4vasp.cStructure.AtomInfo.element" class="py-name" href="#" onclick="return doclink('link-143', 'element', 'link-26');">element</a></tt><tt class="py-op">)</tt> </tt>
<a name="L162"></a><tt class="py-lineno">162</tt>  <tt class="py-line">            <tt id="link-144" class="py-name" targets="Function p4vasp.setutils.remove_set()=p4vasp.setutils-module.html#remove_set"><a title="p4vasp.setutils.remove_set" class="py-name" href="#" onclick="return doclink('link-144', 'remove_set', 'link-144');">remove_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt class="py-name">r</tt><tt class="py-op">)</tt> </tt>
<a name="L163"></a><tt class="py-lineno">163</tt>  <tt class="py-line">        <tt class="py-name">before</tt><tt class="py-op">+=</tt><tt class="py-name">info</tt><tt class="py-op">[</tt><tt id="link-145" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-145', 'i', 'link-19');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">.</tt><tt class="py-name">atomspertype</tt> </tt>
<a name="L164"></a><tt class="py-lineno">164</tt>  <tt class="py-line"> </tt>
<a name="L165"></a><tt class="py-lineno">165</tt>  <tt class="py-line">    <tt class="py-name">l</tt><tt class="py-op">.</tt><tt class="py-name">sort</tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L166"></a><tt class="py-lineno">166</tt>  <tt class="py-line">    <tt class="py-keyword">while</tt> <tt id="link-146" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-146', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L167"></a><tt class="py-lineno">167</tt>  <tt class="py-line">        <tt class="py-name">r</tt><tt class="py-op">=</tt><tt class="py-op">[</tt><tt class="py-name">l</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">]</tt> </tt>
<a name="L168"></a><tt class="py-lineno">168</tt>  <tt class="py-line">        <tt class="py-keyword">for</tt> <tt id="link-147" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-147', 'i', 'link-19');">i</a></tt> <tt class="py-keyword">in</tt> <tt class="py-name">range</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt id="link-148" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-148', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L169"></a><tt class="py-lineno">169</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">[</tt><tt id="link-149" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-149', 'i', 'link-19');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">-</tt><tt class="py-name">l</tt><tt class="py-op">[</tt><tt id="link-150" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-150', 'i', 'link-19');">i</a></tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">)</tt><tt class="py-op">&gt;</tt><tt class="py-number">1</tt><tt class="py-op">:</tt> </tt>
<a name="L170"></a><tt class="py-lineno">170</tt>  <tt class="py-line">                <tt class="py-keyword">break</tt> </tt>
<a name="L171"></a><tt class="py-lineno">171</tt>  <tt class="py-line">            <tt class="py-name">r</tt><tt class="py-op">.</tt><tt id="link-151" class="py-name"><a title="p4vasp.Structure.AtomInfo.append
p4vasp.Structure.Structure.append
p4vasp.cStructure.AtomInfo.append
p4vasp.cStructure.Structure.append
p4vasp.graph.Graph.append
p4vasp.graph.World.append
p4vasp.repository.Repository.append" class="py-name" href="#" onclick="return doclink('link-151', 'append', 'link-40');">append</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">[</tt><tt id="link-152" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-152', 'i', 'link-19');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L172"></a><tt class="py-lineno">172</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt id="link-153" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-153', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L173"></a><tt class="py-lineno">173</tt>  <tt class="py-line">            <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-string">" "</tt> </tt>
<a name="L174"></a><tt class="py-lineno">174</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt id="link-154" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-154', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">r</tt><tt class="py-op">)</tt><tt class="py-op">==</tt><tt class="py-number">1</tt><tt class="py-op">:</tt> </tt>
<a name="L175"></a><tt class="py-lineno">175</tt>  <tt class="py-line">            <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-name">str</tt><tt class="py-op">(</tt><tt class="py-name">r</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">+</tt><tt class="py-number">1</tt><tt class="py-op">)</tt> </tt>
<a name="L176"></a><tt class="py-lineno">176</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L177"></a><tt class="py-lineno">177</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt class="py-name">r</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">==</tt><tt class="py-number">0</tt><tt class="py-op">:</tt> </tt>
<a name="L178"></a><tt class="py-lineno">178</tt>  <tt class="py-line">                <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-string">"-%d"</tt><tt class="py-op">%</tt><tt class="py-op">(</tt><tt class="py-name">r</tt><tt class="py-op">[</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">+</tt><tt class="py-number">1</tt><tt class="py-op">)</tt> </tt>
<a name="L179"></a><tt class="py-lineno">179</tt>  <tt class="py-line">            <tt class="py-keyword">elif</tt> <tt class="py-name">r</tt><tt class="py-op">[</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">&gt;=</tt><tt class="py-op">(</tt><tt id="link-155" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-155', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">struct</tt><tt class="py-op">)</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L180"></a><tt class="py-lineno">180</tt>  <tt class="py-line">                <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-string">"%d-"</tt><tt class="py-op">%</tt><tt class="py-op">(</tt><tt class="py-name">r</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">+</tt><tt class="py-number">1</tt><tt class="py-op">)</tt> </tt>
<a name="L181"></a><tt class="py-lineno">181</tt>  <tt class="py-line">            <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L182"></a><tt class="py-lineno">182</tt>  <tt class="py-line">                <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-string">"%d-%d"</tt><tt class="py-op">%</tt><tt class="py-op">(</tt><tt class="py-name">r</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">+</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt class="py-name">r</tt><tt class="py-op">[</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">+</tt><tt class="py-number">1</tt><tt class="py-op">)</tt> </tt>
<a name="L183"></a><tt class="py-lineno">183</tt>  <tt class="py-line">        <tt id="link-156" class="py-name"><a title="p4vasp.setutils.remove_set" class="py-name" href="#" onclick="return doclink('link-156', 'remove_set', 'link-144');">remove_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt class="py-name">r</tt><tt class="py-op">)</tt> </tt>
<a name="L184"></a><tt class="py-lineno">184</tt>  <tt class="py-line">    <tt class="py-keyword">if</tt> <tt id="link-157" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-157', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L185"></a><tt class="py-lineno">185</tt>  <tt class="py-line">        <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-string">" "</tt> </tt>
<a name="L186"></a><tt class="py-lineno">186</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-name">join</tt><tt class="py-op">(</tt><tt class="py-name">map</tt><tt class="py-op">(</tt><tt class="py-name">str</tt><tt class="py-op">,</tt><tt class="py-name">l</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L187"></a><tt class="py-lineno">187</tt>  <tt class="py-line">    <tt class="py-keyword">return</tt> <tt class="py-name">s</tt> </tt>
</div><a name="L188"></a><tt class="py-lineno">188</tt>  <tt class="py-line"> </tt>
<a name="L189"></a><tt class="py-lineno">189</tt>  <tt class="py-line"> </tt>
<a name="encodeRange"></a><div id="encodeRange-def"><a name="L190"></a><tt class="py-lineno">190</tt> <a class="py-toggle" href="#" id="encodeRange-toggle" onclick="return toggle('encodeRange');">-</a><tt class="py-line"><tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.sellang-module.html#encodeRange">encodeRange</a><tt class="py-op">(</tt><tt class="py-param">sel</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="encodeRange-collapsed" style="display:none;" pad="+++" indent="++++"></div><div id="encodeRange-expanded"><a name="L191"></a><tt class="py-lineno">191</tt>  <tt class="py-line">    <tt class="py-name">l</tt><tt class="py-op">=</tt><tt class="py-name">sel</tt><tt class="py-op">[</tt><tt class="py-op">:</tt><tt class="py-op">]</tt> </tt>
<a name="L192"></a><tt class="py-lineno">192</tt>  <tt class="py-line">    <tt class="py-name">before</tt><tt class="py-op">=</tt><tt class="py-number">0</tt> </tt>
<a name="L193"></a><tt class="py-lineno">193</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">""</tt> </tt>
<a name="L194"></a><tt class="py-lineno">194</tt>  <tt class="py-line"> </tt>
<a name="L195"></a><tt class="py-lineno">195</tt>  <tt class="py-line">    <tt class="py-name">l</tt><tt class="py-op">.</tt><tt class="py-name">sort</tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L196"></a><tt class="py-lineno">196</tt>  <tt class="py-line">    <tt class="py-keyword">while</tt> <tt id="link-158" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-158', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L197"></a><tt class="py-lineno">197</tt>  <tt class="py-line">        <tt class="py-name">r</tt><tt class="py-op">=</tt><tt class="py-op">[</tt><tt class="py-name">l</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">]</tt> </tt>
<a name="L198"></a><tt class="py-lineno">198</tt>  <tt class="py-line">        <tt class="py-keyword">for</tt> <tt id="link-159" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-159', 'i', 'link-19');">i</a></tt> <tt class="py-keyword">in</tt> <tt class="py-name">range</tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt id="link-160" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-160', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L199"></a><tt class="py-lineno">199</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">[</tt><tt id="link-161" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-161', 'i', 'link-19');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">-</tt><tt class="py-name">l</tt><tt class="py-op">[</tt><tt id="link-162" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-162', 'i', 'link-19');">i</a></tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">)</tt><tt class="py-op">&gt;</tt><tt class="py-number">1</tt><tt class="py-op">:</tt> </tt>
<a name="L200"></a><tt class="py-lineno">200</tt>  <tt class="py-line">                <tt class="py-keyword">break</tt> </tt>
<a name="L201"></a><tt class="py-lineno">201</tt>  <tt class="py-line">            <tt class="py-name">r</tt><tt class="py-op">.</tt><tt id="link-163" class="py-name"><a title="p4vasp.Structure.AtomInfo.append
p4vasp.Structure.Structure.append
p4vasp.cStructure.AtomInfo.append
p4vasp.cStructure.Structure.append
p4vasp.graph.Graph.append
p4vasp.graph.World.append
p4vasp.repository.Repository.append" class="py-name" href="#" onclick="return doclink('link-163', 'append', 'link-40');">append</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">[</tt><tt id="link-164" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-164', 'i', 'link-19');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L202"></a><tt class="py-lineno">202</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt id="link-165" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-165', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L203"></a><tt class="py-lineno">203</tt>  <tt class="py-line">            <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-string">" "</tt> </tt>
<a name="L204"></a><tt class="py-lineno">204</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt id="link-166" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-166', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">r</tt><tt class="py-op">)</tt><tt class="py-op">==</tt><tt class="py-number">1</tt><tt class="py-op">:</tt> </tt>
<a name="L205"></a><tt class="py-lineno">205</tt>  <tt class="py-line">            <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-name">str</tt><tt class="py-op">(</tt><tt class="py-name">r</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">+</tt><tt class="py-number">1</tt><tt class="py-op">)</tt> </tt>
<a name="L206"></a><tt class="py-lineno">206</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L207"></a><tt class="py-lineno">207</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt class="py-name">r</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">==</tt><tt class="py-number">0</tt><tt class="py-op">:</tt> </tt>
<a name="L208"></a><tt class="py-lineno">208</tt>  <tt class="py-line">                <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-string">"1-%d"</tt><tt class="py-op">%</tt><tt class="py-op">(</tt><tt class="py-name">r</tt><tt class="py-op">[</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">+</tt><tt class="py-number">1</tt><tt class="py-op">)</tt> </tt>
<a name="L209"></a><tt class="py-lineno">209</tt>  <tt class="py-line">            <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L210"></a><tt class="py-lineno">210</tt>  <tt class="py-line">                <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-string">"%d-%d"</tt><tt class="py-op">%</tt><tt class="py-op">(</tt><tt class="py-name">r</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">+</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt class="py-name">r</tt><tt class="py-op">[</tt><tt class="py-op">-</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">+</tt><tt class="py-number">1</tt><tt class="py-op">)</tt> </tt>
<a name="L211"></a><tt class="py-lineno">211</tt>  <tt class="py-line">        <tt id="link-167" class="py-name"><a title="p4vasp.setutils.remove_set" class="py-name" href="#" onclick="return doclink('link-167', 'remove_set', 'link-144');">remove_set</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">,</tt><tt class="py-name">r</tt><tt class="py-op">)</tt> </tt>
<a name="L212"></a><tt class="py-lineno">212</tt>  <tt class="py-line">    <tt class="py-keyword">if</tt> <tt id="link-168" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-168', 'len', 'link-18');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L213"></a><tt class="py-lineno">213</tt>  <tt class="py-line">        <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-string">" "</tt> </tt>
<a name="L214"></a><tt class="py-lineno">214</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-name">join</tt><tt class="py-op">(</tt><tt class="py-name">map</tt><tt class="py-op">(</tt><tt class="py-name">str</tt><tt class="py-op">,</tt><tt class="py-name">l</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L215"></a><tt class="py-lineno">215</tt>  <tt class="py-line">    <tt class="py-keyword">return</tt> <tt class="py-name">s</tt> </tt>
</div><a name="L216"></a><tt class="py-lineno">216</tt>  <tt class="py-line"> </tt>
<a name="L217"></a><tt class="py-lineno">217</tt>  <tt class="py-line"><tt class="py-keyword">if</tt> <tt class="py-name">__name__</tt><tt class="py-op">==</tt><tt class="py-string">"__main__"</tt><tt class="py-op">:</tt> </tt>
<a name="L218"></a><tt class="py-lineno">218</tt>  <tt class="py-line">    <tt class="py-keyword">from</tt> <tt id="link-169" class="py-name" targets="Module p4vasp.SystemPM=p4vasp.SystemPM-module.html,Class p4vasp.SystemPM.SystemPM=p4vasp.SystemPM.SystemPM-class.html"><a title="p4vasp.SystemPM
p4vasp.SystemPM.SystemPM" class="py-name" href="#" onclick="return doclink('link-169', 'SystemPM', 'link-169');">SystemPM</a></tt> <tt class="py-keyword">import</tt> <tt class="py-op">*</tt> </tt>
<a name="L219"></a><tt class="py-lineno">219</tt>  <tt class="py-line"> </tt>
<a name="L220"></a><tt class="py-lineno">220</tt>  <tt class="py-line">    <tt class="py-name">system</tt><tt class="py-op">=</tt><tt id="link-170" class="py-name" targets="Class p4vasp.SystemPM.XMLSystemPM=p4vasp.SystemPM.XMLSystemPM-class.html"><a title="p4vasp.SystemPM.XMLSystemPM" class="py-name" href="#" onclick="return doclink('link-170', 'XMLSystemPM', 'link-170');">XMLSystemPM</a></tt><tt class="py-op">(</tt><tt class="py-string">"../vasprun2.xml"</tt><tt class="py-op">)</tt> </tt>
<a name="L221"></a><tt class="py-lineno">221</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">.</tt><tt class="py-name">info</tt><tt class="py-op">.</tt><tt id="link-171" class="py-name" targets="Method p4vasp.util.ToXMLHelper.toxml()=p4vasp.util.ToXMLHelper-class.html#toxml"><a title="p4vasp.util.ToXMLHelper.toxml" class="py-name" href="#" onclick="return doclink('link-171', 'toxml', 'link-171');">toxml</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L222"></a><tt class="py-lineno">222</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"#1"</tt> </tt>
<a name="L223"></a><tt class="py-lineno">223</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-172" class="py-name" targets="Method p4vasp.Selection.Selection.decode()=p4vasp.Selection.Selection-class.html#decode,Function p4vasp.sellang.decode()=p4vasp.sellang-module.html#decode"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-172', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L224"></a><tt class="py-lineno">224</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"#2"</tt> </tt>
<a name="L225"></a><tt class="py-lineno">225</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-173" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-173', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L226"></a><tt class="py-lineno">226</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"#1 #2"</tt> </tt>
<a name="L227"></a><tt class="py-lineno">227</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-174" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-174', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L228"></a><tt class="py-lineno">228</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"#2:1"</tt> </tt>
<a name="L229"></a><tt class="py-lineno">229</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-175" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-175', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L230"></a><tt class="py-lineno">230</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"#2:2-"</tt> </tt>
<a name="L231"></a><tt class="py-lineno">231</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-176" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-176', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L232"></a><tt class="py-lineno">232</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"#2:-3"</tt> </tt>
<a name="L233"></a><tt class="py-lineno">233</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-177" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-177', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L234"></a><tt class="py-lineno">234</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"#2:2-3"</tt> </tt>
<a name="L235"></a><tt class="py-lineno">235</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-178" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-178', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L236"></a><tt class="py-lineno">236</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"2-4"</tt> </tt>
<a name="L237"></a><tt class="py-lineno">237</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-179" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-179', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L238"></a><tt class="py-lineno">238</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"-4"</tt> </tt>
<a name="L239"></a><tt class="py-lineno">239</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-180" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-180', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L240"></a><tt class="py-lineno">240</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"2-"</tt> </tt>
<a name="L241"></a><tt class="py-lineno">241</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-181" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-181', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L242"></a><tt class="py-lineno">242</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"Ti"</tt> </tt>
<a name="L243"></a><tt class="py-lineno">243</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-182" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-182', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L244"></a><tt class="py-lineno">244</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"O"</tt> </tt>
<a name="L245"></a><tt class="py-lineno">245</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-183" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-183', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L246"></a><tt class="py-lineno">246</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"O:2"</tt> </tt>
<a name="L247"></a><tt class="py-lineno">247</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-184" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-184', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L248"></a><tt class="py-lineno">248</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"O:2-"</tt> </tt>
<a name="L249"></a><tt class="py-lineno">249</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-185" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-185', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L250"></a><tt class="py-lineno">250</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"O:-3"</tt> </tt>
<a name="L251"></a><tt class="py-lineno">251</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-186" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-186', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L252"></a><tt class="py-lineno">252</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"O:2-3"</tt> </tt>
<a name="L253"></a><tt class="py-lineno">253</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-187" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-187', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L254"></a><tt class="py-lineno">254</tt>  <tt class="py-line"> </tt>
<a name="L255"></a><tt class="py-lineno">255</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> </tt>
<a name="L256"></a><tt class="py-lineno">256</tt>  <tt class="py-line"> </tt>
<a name="L257"></a><tt class="py-lineno">257</tt>  <tt class="py-line">    <tt class="py-name">r</tt><tt class="py-op">=</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">,</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt class="py-number">2</tt><tt class="py-op">,</tt><tt class="py-number">3</tt><tt class="py-op">,</tt><tt class="py-number">4</tt><tt class="py-op">,</tt><tt class="py-number">5</tt><tt class="py-op">]</tt> </tt>
<a name="L258"></a><tt class="py-lineno">258</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt id="link-188" class="py-name" targets="Method p4vasp.Selection.Selection.encode()=p4vasp.Selection.Selection-class.html#encode,Function p4vasp.sellang.encode()=p4vasp.sellang-module.html#encode"><a title="p4vasp.Selection.Selection.encode
p4vasp.sellang.encode" class="py-name" href="#" onclick="return doclink('link-188', 'encode', 'link-188');">encode</a></tt><tt class="py-op">(</tt><tt class="py-name">r</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L259"></a><tt class="py-lineno">259</tt>  <tt class="py-line">    <tt id="link-189" class="py-name" targets="Variable p4vasp.SystemPM.c=p4vasp.SystemPM-module.html#c"><a title="p4vasp.SystemPM.c" class="py-name" href="#" onclick="return doclink('link-189', 'c', 'link-189');">c</a></tt><tt class="py-op">=</tt><tt id="link-190" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-190', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L260"></a><tt class="py-lineno">260</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">r</tt> </tt>
<a name="L261"></a><tt class="py-lineno">261</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt> </tt>
<a name="L262"></a><tt class="py-lineno">262</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt id="link-191" class="py-name"><a title="p4vasp.SystemPM.c" class="py-name" href="#" onclick="return doclink('link-191', 'c', 'link-189');">c</a></tt> </tt>
<a name="L263"></a><tt class="py-lineno">263</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> </tt>
<a name="L264"></a><tt class="py-lineno">264</tt>  <tt class="py-line">    <tt class="py-name">r</tt><tt class="py-op">=</tt><tt class="py-op">[</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt class="py-number">2</tt><tt class="py-op">,</tt><tt class="py-number">3</tt><tt class="py-op">,</tt><tt class="py-number">4</tt><tt class="py-op">,</tt><tt class="py-number">5</tt><tt class="py-op">]</tt> </tt>
<a name="L265"></a><tt class="py-lineno">265</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt id="link-192" class="py-name"><a title="p4vasp.Selection.Selection.encode
p4vasp.sellang.encode" class="py-name" href="#" onclick="return doclink('link-192', 'encode', 'link-188');">encode</a></tt><tt class="py-op">(</tt><tt class="py-name">r</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L266"></a><tt class="py-lineno">266</tt>  <tt class="py-line">    <tt id="link-193" class="py-name"><a title="p4vasp.SystemPM.c" class="py-name" href="#" onclick="return doclink('link-193', 'c', 'link-189');">c</a></tt><tt class="py-op">=</tt><tt id="link-194" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-194', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L267"></a><tt class="py-lineno">267</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">r</tt> </tt>
<a name="L268"></a><tt class="py-lineno">268</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt> </tt>
<a name="L269"></a><tt class="py-lineno">269</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt id="link-195" class="py-name"><a title="p4vasp.SystemPM.c" class="py-name" href="#" onclick="return doclink('link-195', 'c', 'link-189');">c</a></tt> </tt>
<a name="L270"></a><tt class="py-lineno">270</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> </tt>
<a name="L271"></a><tt class="py-lineno">271</tt>  <tt class="py-line">    <tt class="py-name">r</tt><tt class="py-op">=</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">,</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt class="py-number">2</tt><tt class="py-op">,</tt><tt class="py-number">3</tt><tt class="py-op">,</tt><tt class="py-number">4</tt><tt class="py-op">]</tt> </tt>
<a name="L272"></a><tt class="py-lineno">272</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt id="link-196" class="py-name"><a title="p4vasp.Selection.Selection.encode
p4vasp.sellang.encode" class="py-name" href="#" onclick="return doclink('link-196', 'encode', 'link-188');">encode</a></tt><tt class="py-op">(</tt><tt class="py-name">r</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L273"></a><tt class="py-lineno">273</tt>  <tt class="py-line">    <tt id="link-197" class="py-name"><a title="p4vasp.SystemPM.c" class="py-name" href="#" onclick="return doclink('link-197', 'c', 'link-189');">c</a></tt><tt class="py-op">=</tt><tt id="link-198" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-198', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L274"></a><tt class="py-lineno">274</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">r</tt> </tt>
<a name="L275"></a><tt class="py-lineno">275</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt> </tt>
<a name="L276"></a><tt class="py-lineno">276</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt id="link-199" class="py-name"><a title="p4vasp.SystemPM.c" class="py-name" href="#" onclick="return doclink('link-199', 'c', 'link-189');">c</a></tt> </tt>
<a name="L277"></a><tt class="py-lineno">277</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> </tt>
<a name="L278"></a><tt class="py-lineno">278</tt>  <tt class="py-line">    <tt class="py-name">r</tt><tt class="py-op">=</tt><tt class="py-op">[</tt><tt class="py-number">3</tt><tt class="py-op">,</tt><tt class="py-number">4</tt><tt class="py-op">,</tt><tt class="py-number">5</tt><tt class="py-op">]</tt> </tt>
<a name="L279"></a><tt class="py-lineno">279</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt id="link-200" class="py-name"><a title="p4vasp.Selection.Selection.encode
p4vasp.sellang.encode" class="py-name" href="#" onclick="return doclink('link-200', 'encode', 'link-188');">encode</a></tt><tt class="py-op">(</tt><tt class="py-name">r</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L280"></a><tt class="py-lineno">280</tt>  <tt class="py-line">    <tt id="link-201" class="py-name"><a title="p4vasp.SystemPM.c" class="py-name" href="#" onclick="return doclink('link-201', 'c', 'link-189');">c</a></tt><tt class="py-op">=</tt><tt id="link-202" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-202', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L281"></a><tt class="py-lineno">281</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">r</tt> </tt>
<a name="L282"></a><tt class="py-lineno">282</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt> </tt>
<a name="L283"></a><tt class="py-lineno">283</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt id="link-203" class="py-name"><a title="p4vasp.SystemPM.c" class="py-name" href="#" onclick="return doclink('link-203', 'c', 'link-189');">c</a></tt> </tt>
<a name="L284"></a><tt class="py-lineno">284</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> </tt>
<a name="L285"></a><tt class="py-lineno">285</tt>  <tt class="py-line">    <tt class="py-name">r</tt><tt class="py-op">=</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">,</tt><tt class="py-number">1</tt><tt class="py-op">]</tt> </tt>
<a name="L286"></a><tt class="py-lineno">286</tt>  <tt class="py-line">    <tt class="py-name">s</tt><tt class="py-op">=</tt><tt id="link-204" class="py-name"><a title="p4vasp.Selection.Selection.encode
p4vasp.sellang.encode" class="py-name" href="#" onclick="return doclink('link-204', 'encode', 'link-188');">encode</a></tt><tt class="py-op">(</tt><tt class="py-name">r</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L287"></a><tt class="py-lineno">287</tt>  <tt class="py-line">    <tt id="link-205" class="py-name"><a title="p4vasp.SystemPM.c" class="py-name" href="#" onclick="return doclink('link-205', 'c', 'link-189');">c</a></tt><tt class="py-op">=</tt><tt id="link-206" class="py-name"><a title="p4vasp.Selection.Selection.decode
p4vasp.sellang.decode" class="py-name" href="#" onclick="return doclink('link-206', 'decode', 'link-172');">decode</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">system</tt><tt class="py-op">.</tt><tt class="py-name">FINAL_STRUCTURE</tt><tt class="py-op">)</tt> </tt>
<a name="L288"></a><tt class="py-lineno">288</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">r</tt> </tt>
<a name="L289"></a><tt class="py-lineno">289</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt class="py-name">s</tt> </tt>
<a name="L290"></a><tt class="py-lineno">290</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> <tt id="link-207" class="py-name"><a title="p4vasp.SystemPM.c" class="py-name" href="#" onclick="return doclink('link-207', 'c', 'link-189');">c</a></tt> </tt>
<a name="L291"></a><tt class="py-lineno">291</tt>  <tt class="py-line">    <tt class="py-keyword">print</tt> </tt>
<a name="L292"></a><tt class="py-lineno">292</tt>  <tt class="py-line">    <tt class="py-comment">#decode("1 2- -3 4-5 Au #6 #7:8 #9:10- #11:-12 #13:14-15 B:16 C:17- Cd:-18 Eu:19-20")</tt> </tt>
<a name="L293"></a><tt class="py-lineno">293</tt>  <tt class="py-line"> </tt><script type="text/javascript">
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